Vitas-M small molecule compound
6-amino-4-{3,5-dibromo-4-[(2-chlorobenzyl)oxy]phenyl}-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Catalog ID
STL379762
SMILES N#CC1=C(N)Oc2c(C1c1cc(Br)c(c(c1)Br)OCc1ccccc1Cl)c(C)n[nH]2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H15Br2ClN4O2 MW 550.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15Br2ClN4O2/c1-10-17-18(13(8-25)20(26)30-21(17)28-27-10)12-6-14(22)19(15(23)7-12)29-9-11-4-2-3-5-16(11)24/h2-7,18H,9,26H2,1H3,(H,27,28)InChIKey
QPDGUIHYUDHLFB-UHFFFAOYSA-NSynonyms
6amino4(35dibromo4((2chlorobenzyl)oxy)phenyl)3methyl14dihydropyrano(23c)pyrazole5carbonitrile
6AMINO4(35DIBROMO4((2CHLOROPHENYL)METHOXY)PHENYL)3METHYL24DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE
CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=C(C(=C3)Br)OCC4=CC=CC=C4Cl)Br
InChI=1SC21H15Br2ClN4O2c1101718(13(825)20(26)3021(17)282710)12614(22)19(15(23)712)29911423516(11)24h2718H926H21H3(H2728)
MFCD04091238
N#CC1=C(N)Oc2c(C1c1cc(Br)c(c(c1)Br)OCc1ccccc1Cl)c(C)n(nH)2
ZINC000000661038
ZINC000000661041
ZINC00661041
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